Geometry & MOs

Info

ID:	289335
PubChem CID:	104346028
Reduced:	BrClON5C12H13 (1)
Stoich.:	ABCD5E12F13 (1)
Weight, g/mol:	279.20591
ΔH_f, kcal/mol:	31.28
Dipole, Da:	2.59
IP(EA), eV:	-9.13(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydrazinyl-2-(methoxymethyl)-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

COCC1=NC(=CC(=N1)NN)NC2=C(C=CC(=C2)Br)Cl

DOS

IR

Vibrations